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Frontiers in Chemistry|June 15, 2026
Enhanced climbing image nudged elastic band method with Hessian eigenmode alignmentRohit Goswami, Miha Gunde, Hannes JónssonJournal of Chemical Information and Modeling|October 27, 2021
IRA: A Shape Matching Approach for Recognition and Comparison of Generic Atomic PatternsMiha Gunde, Nicolas Salles, Anne Hémeryck, et al.Journal of Chemical Theory and Computation|August 16, 2020
Finding Reaction Pathways and Transition States: r-ARTn and d-ARTn as an Efficient and Versatile Alternative to String ApproachesAntoine Jay, Christophe Huet, Nicolas Salles, et al.Pageof 1